Receptor
PDB id Resolution Class Description Source Keywords
4WB7 1.9 Å EC: 2.7.11.11 CRYSTAL STRUCTURE OF A CHIMERIC FUSION OF HUMAN DNAJ (HSP40) DEPENDENT PROTEIN KINASE A (CATALYTIC ALPHA SUBUNIT) HOMO SAPIENS CHAPERONE CATALYSIS PROTEIN KINASE ADENOSINE TRIPHOSPHATEPHOSPHORYLATION CHIMERA FUSION FIBROLAMELLAR HEPATOCELLUCARINOMA
Ref.: STRUCTURAL INSIGHTS INTO MIS-REGULATION OF PROTEIN IN HUMAN TUMORS. PROC.NATL.ACAD.SCI.USA V. 112 1374 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:503;
J:101;
I:101;
A:504;
I:103;
A:507;
A:506;
J:102;
B:502;
I:102;
A:502;
B:504;
A:503;
B:505;
A:505;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Invalid;
Part of Protein;
Part of Protein;
Invalid;
Part of Protein;
Invalid;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
ATP A:501;
B:501;
Valid;
Valid;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4WB7 1.9 Å EC: 2.7.11.11 CRYSTAL STRUCTURE OF A CHIMERIC FUSION OF HUMAN DNAJ (HSP40) DEPENDENT PROTEIN KINASE A (CATALYTIC ALPHA SUBUNIT) HOMO SAPIENS CHAPERONE CATALYSIS PROTEIN KINASE ADENOSINE TRIPHOSPHATEPHOSPHORYLATION CHIMERA FUSION FIBROLAMELLAR HEPATOCELLUCARINOMA
Ref.: STRUCTURAL INSIGHTS INTO MIS-REGULATION OF PROTEIN IN HUMAN TUMORS. PROC.NATL.ACAD.SCI.USA V. 112 1374 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4WB7 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (116)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4XW5 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 2UW5 ic50 = 34 nM GVN C17 H16 Cl N3 c1cc(ccc1c....
3 2JDV - L20 C24 H23 N5 O Cc1c2cc(cc....
4 2VNY - M02 C10 H14 N6 c1[nH]c2c(....
5 4IE9 - PZX C11 H11 N3 O2 Cc1cc(n[nH....
6 3FJQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 2VO6 - M05 C18 H21 Cl N5 c1cc(ccc1C....
8 4UJ9 - S3N C20 H16 F3 N3 O2 c1cc(ccc1C....
9 1YDR Ki = 3 uM IQP C14 H17 N3 O2 S C[C@H]1CNC....
10 2C1A ic50 = 0.17 uM I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
11 4UJA - 4L7 C17 H14 Br N3 O2 S c1cc2c(cc1....
12 2UW0 - GVK C22 H20 Cl N5 c1cc(ccc1c....
13 4DFX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
14 3L9L ic50 = 167 nM L9L C21 H19 F3 N4 O S c1cc(ccc1C....
15 3X2V - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 3MVJ ic50 = 3200 nM XFE C11 H15 N5 Cc1c[nH]c2....
17 4HPU - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
18 4C35 ic50 = 0.56 uM NU3 C14 H11 N3 O2 c1cc(c2c(c....
19 4C38 ic50 = 17.4 nM VUP C11 H12 N6 O CCn1c2cc(n....
20 3ZO4 ic50 = 149 nM QWI C20 H24 N6 c1ccc(cc1)....
21 2OJF ic50 = 15 nM 4PY C22 H20 N6 O c1c(cncc1O....
22 4XW4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
23 2GNF Ki = 6 uM Y27 C14 H21 N3 O C[C@H](C1C....
24 2JDS ic50 = 27 nM L20 C24 H23 N5 O Cc1c2cc(cc....
25 3E8E - G98 C24 H29 N7 O3 CCn1c2cc(n....
26 1SVG ic50 = 2 nM I04 C27 H27 F N4 O5 COc1ccc(c(....
27 2UW3 ic50 = 80 uM GVG C10 H10 N2 Cc1c(c[nH]....
28 3L9N - L9N C19 H20 N6 S Cc1ccc(cc1....
29 2UZW Kd = 5 nM SS4 C22 H21 Br N4 O Cc1c2cc(cc....
30 3X2W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
31 2GNJ Ki = 6 uM Y27 C14 H21 N3 O C[C@H](C1C....
32 2VO0 - M03 C18 H20 Cl N5 c1cc(ccc1C....
33 1L3R - AF3 Al F3 F[Al](F)F
34 4O21 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
35 1XH5 Kd = 3400 nM R68 C33 H38 F N5 O4 CC1(CCCN[C....
36 2JDT - I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
37 2ERZ Ki = 2.2 uM HFS C14 H17 N3 O3 S c1cc2c(ccn....
38 1Q8W Kd = 5.7 uM M77 C14 H17 N3 O2 S c1cc2cnccc....
39 1STC Ki = 8 nM STU C28 H26 N4 O3 C[C@@]12[C....
40 4IAZ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
41 2UVX - GVH C7 H6 N2 c1cc2cc[nH....
42 4YXR - 0RW C8 H8 N2 Cc1c2ccccc....
43 1RDQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
44 4YXS - EMU C12 H11 N5 c1ccc(cc1)....
45 1Q8T Kd = 17.5 uM Y27 C14 H21 N3 O C[C@H](C1C....
46 4IAI - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
47 2UW4 ic50 = 5.2 uM L15 C12 H15 N3 Cc1c(c[nH]....
48 2GNI Ki = 2280 nM M77 C14 H17 N3 O2 S c1cc2cnccc....
49 2UVY - GVI C13 H13 N5 CNCc1ccc(c....
50 1CDK - MYR C14 H28 O2 CCCCCCCCCC....
51 2C1B ic50 = 0.4 uM CQP C21 H22 Cl N3 O3 S c1cc2cnccc....
52 2UW8 ic50 = 77 uM GVQ C14 H14 Cl N c1ccc(cc1)....
53 3AMA Ki = 0.297 uM SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
54 2GNH Ki = 149 nM H52 C16 H21 N3 O2 S Cc1cncc2c1....
55 4IB0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
56 1SVE ic50 = 5 nM I01 C27 H26 F N3 O6 COc1ccc(c(....
57 1XH4 Kd = 34 nM R69 C28 H31 N5 O4 CN(C)c1ccc....
58 2VO7 ic50 = 15 nM M05 C18 H21 Cl N5 c1cc(ccc1C....
59 2UZU ic50 = 0.16 nM L20 C24 H23 N5 O Cc1c2cc(cc....
60 4AXA - RKD C17 H17 Cl N3 O c1cc(ccc1c....
61 2F7E ic50 = 1.3 nM 2EA C25 H22 N4 O c1ccc2c(c1....
62 1XH8 ic50 = 1700 nM R55 C33 H39 N5 O4 CC1(CCN(CC....
63 3DNE - LL1 C12 H9 N3 c1ccc2c(c1....
64 4DG0 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
65 4C34 - STU C28 H26 N4 O3 C[C@@]12[C....
66 4IAC - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
67 2UZT ic50 = 14 nM SS3 C22 H22 N4 O Cc1c2cc(cc....
68 1JBP - OCT C8 H18 CCCCCCCC
69 1ATP Kd = 60 nM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70 3OW3 ic50 = 742 nM SMY C22 H26 N6 O S C[C@H]1c2c....
71 4IB3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
72 3ZO3 - QNI C14 H20 N6 c1[nH]c2c(....
73 4C37 ic50 = 19.7 nM Z21 C10 H9 Br N6 O CCn1c2cc(n....
74 3E8C - G96 C24 H27 N7 O3 CCn1c2cc(n....
75 1Q8U Kd = 1.1 uM H52 C16 H21 N3 O2 S Cc1cncc2c1....
76 4Z83 - 4L7 C17 H14 Br N3 O2 S c1cc2c(cc1....
77 1YDT Ki = 48 nM IQB C20 H20 Br N3 O2 S c1cc2cnccc....
78 3L9M - L9M C20 H22 N6 S Cc1ccc(cc1....
79 3AMB Ki = 0.66 uM VX6 C23 H28 N8 O S Cc1cc([nH]....
80 3DND - LL2 C10 H10 N2 S c1ccc(cc1)....
81 4IAK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
82 2UW6 ic50 = 0.28 uM GVO C17 H16 Cl N3 c1cc(ccc1c....
83 1XH7 Kd = 150 nM R96 C33 H39 N5 O4 CC1(CCCN(C....
84 3X2U - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
85 1XHA - R68 C33 H38 F N5 O4 CC1(CCCN[C....
86 4IAF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
87 4IAD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
88 3ZO1 ic50 = 1 uM SIJ C14 H20 N6 c1[nH]c2c(....
89 4HPT - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
90 4UJ1 - NVX C19 H16 Cl N3 O2 c1cc(cc(c1....
91 2OH0 ic50 = 18 nM 2PY C23 H21 N5 O c1cc2c(cc1....
92 4WB5 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
93 2F7X ic50 = 14 nM 4EA C23 H22 N4 O c1ccc2c(c1....
94 2UVZ - GVJ C18 H15 N5 c1ccc(cc1)....
95 3NX8 - IPH C6 H6 O c1ccc(cc1)....
96 2UW7 ic50 = 18 nM GVP C20 H20 Cl N3 c1cc(ccc1c....
97 4Z84 - NVX C19 H16 Cl N3 O2 c1cc(cc(c1....
98 1XH6 Kd = 48 nM R94 C31 H35 N5 O4 c1cc(ccc1C....
99 2VNW - M01 C11 H16 N6 c1[nH]c2c(....
100 1FMO Ki = 2.3 nM ADN C10 H13 N5 O4 c1nc(c2c(n....
101 2UZV ic50 > 3 uM SS5 C29 H34 N4 O2 Cc1c2cc(cc....
102 4UJ2 - NVV C19 H16 I N3 O2 c1cc(cc(c1....
103 4IB1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
104 2QUR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
105 4XW6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
106 1XH9 Kd = 17 nM R69 C28 H31 N5 O4 CN(C)c1ccc....
107 2GU8 ic50 = 0.1 nM 796 C19 H19 Cl2 N5 O S CNc1nccc(n....
108 2VO3 - M04 C19 H22 Cl N5 c1cc(ccc1C....
109 4WB8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
110 3ZO2 ic50 = 80 nM 15I C14 H20 N6 c1[nH]c2c(....
111 1SVH ic50 = 360 nM I08 C28 H28 F N3 O4 COc1ccc(c(....
112 1YDS Ki = 1.2 uM IQS C12 H15 N3 O2 S CNCCNS(=O)....
113 4IAY - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
114 4C36 ic50 = 19.8 nM ZO9 C13 H13 N5 O c1ccc2c(c1....
115 4UJB - 8BQ C19 H16 F N3 O2 c1cc(cc(c1....
116 4WB7 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (116)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4XW5 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 2UW5 ic50 = 34 nM GVN C17 H16 Cl N3 c1cc(ccc1c....
3 2JDV - L20 C24 H23 N5 O Cc1c2cc(cc....
4 2VNY - M02 C10 H14 N6 c1[nH]c2c(....
5 4IE9 - PZX C11 H11 N3 O2 Cc1cc(n[nH....
6 3FJQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 2VO6 - M05 C18 H21 Cl N5 c1cc(ccc1C....
8 4UJ9 - S3N C20 H16 F3 N3 O2 c1cc(ccc1C....
9 1YDR Ki = 3 uM IQP C14 H17 N3 O2 S C[C@H]1CNC....
10 2C1A ic50 = 0.17 uM I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
11 4UJA - 4L7 C17 H14 Br N3 O2 S c1cc2c(cc1....
12 2UW0 - GVK C22 H20 Cl N5 c1cc(ccc1c....
13 4DFX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
14 3L9L ic50 = 167 nM L9L C21 H19 F3 N4 O S c1cc(ccc1C....
15 3X2V - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 3MVJ ic50 = 3200 nM XFE C11 H15 N5 Cc1c[nH]c2....
17 4HPU - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
18 4C35 ic50 = 0.56 uM NU3 C14 H11 N3 O2 c1cc(c2c(c....
19 4C38 ic50 = 17.4 nM VUP C11 H12 N6 O CCn1c2cc(n....
20 3ZO4 ic50 = 149 nM QWI C20 H24 N6 c1ccc(cc1)....
21 2OJF ic50 = 15 nM 4PY C22 H20 N6 O c1c(cncc1O....
22 4XW4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
23 2GNF Ki = 6 uM Y27 C14 H21 N3 O C[C@H](C1C....
24 2JDS ic50 = 27 nM L20 C24 H23 N5 O Cc1c2cc(cc....
25 3E8E - G98 C24 H29 N7 O3 CCn1c2cc(n....
26 1SVG ic50 = 2 nM I04 C27 H27 F N4 O5 COc1ccc(c(....
27 2UW3 ic50 = 80 uM GVG C10 H10 N2 Cc1c(c[nH]....
28 3L9N - L9N C19 H20 N6 S Cc1ccc(cc1....
29 2UZW Kd = 5 nM SS4 C22 H21 Br N4 O Cc1c2cc(cc....
30 3X2W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
31 2GNJ Ki = 6 uM Y27 C14 H21 N3 O C[C@H](C1C....
32 2VO0 - M03 C18 H20 Cl N5 c1cc(ccc1C....
33 1L3R - AF3 Al F3 F[Al](F)F
34 4O21 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
35 1XH5 Kd = 3400 nM R68 C33 H38 F N5 O4 CC1(CCCN[C....
36 2JDT - I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
37 2ERZ Ki = 2.2 uM HFS C14 H17 N3 O3 S c1cc2c(ccn....
38 1Q8W Kd = 5.7 uM M77 C14 H17 N3 O2 S c1cc2cnccc....
39 1STC Ki = 8 nM STU C28 H26 N4 O3 C[C@@]12[C....
40 4IAZ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
41 2UVX - GVH C7 H6 N2 c1cc2cc[nH....
42 4YXR - 0RW C8 H8 N2 Cc1c2ccccc....
43 1RDQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
44 4YXS - EMU C12 H11 N5 c1ccc(cc1)....
45 1Q8T Kd = 17.5 uM Y27 C14 H21 N3 O C[C@H](C1C....
46 4IAI - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
47 2UW4 ic50 = 5.2 uM L15 C12 H15 N3 Cc1c(c[nH]....
48 2GNI Ki = 2280 nM M77 C14 H17 N3 O2 S c1cc2cnccc....
49 2UVY - GVI C13 H13 N5 CNCc1ccc(c....
50 1CDK - MYR C14 H28 O2 CCCCCCCCCC....
51 2C1B ic50 = 0.4 uM CQP C21 H22 Cl N3 O3 S c1cc2cnccc....
52 2UW8 ic50 = 77 uM GVQ C14 H14 Cl N c1ccc(cc1)....
53 3AMA Ki = 0.297 uM SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
54 2GNH Ki = 149 nM H52 C16 H21 N3 O2 S Cc1cncc2c1....
55 4IB0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
56 1SVE ic50 = 5 nM I01 C27 H26 F N3 O6 COc1ccc(c(....
57 1XH4 Kd = 34 nM R69 C28 H31 N5 O4 CN(C)c1ccc....
58 2VO7 ic50 = 15 nM M05 C18 H21 Cl N5 c1cc(ccc1C....
59 2UZU ic50 = 0.16 nM L20 C24 H23 N5 O Cc1c2cc(cc....
60 4AXA - RKD C17 H17 Cl N3 O c1cc(ccc1c....
61 2F7E ic50 = 1.3 nM 2EA C25 H22 N4 O c1ccc2c(c1....
62 1XH8 ic50 = 1700 nM R55 C33 H39 N5 O4 CC1(CCN(CC....
63 3DNE - LL1 C12 H9 N3 c1ccc2c(c1....
64 4DG0 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
65 4C34 - STU C28 H26 N4 O3 C[C@@]12[C....
66 4IAC - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
67 2UZT ic50 = 14 nM SS3 C22 H22 N4 O Cc1c2cc(cc....
68 1JBP - OCT C8 H18 CCCCCCCC
69 1ATP Kd = 60 nM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70 3OW3 ic50 = 742 nM SMY C22 H26 N6 O S C[C@H]1c2c....
71 4IB3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
72 3ZO3 - QNI C14 H20 N6 c1[nH]c2c(....
73 4C37 ic50 = 19.7 nM Z21 C10 H9 Br N6 O CCn1c2cc(n....
74 3E8C - G96 C24 H27 N7 O3 CCn1c2cc(n....
75 1Q8U Kd = 1.1 uM H52 C16 H21 N3 O2 S Cc1cncc2c1....
76 4Z83 - 4L7 C17 H14 Br N3 O2 S c1cc2c(cc1....
77 1YDT Ki = 48 nM IQB C20 H20 Br N3 O2 S c1cc2cnccc....
78 3L9M - L9M C20 H22 N6 S Cc1ccc(cc1....
79 3AMB Ki = 0.66 uM VX6 C23 H28 N8 O S Cc1cc([nH]....
80 3DND - LL2 C10 H10 N2 S c1ccc(cc1)....
81 4IAK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
82 2UW6 ic50 = 0.28 uM GVO C17 H16 Cl N3 c1cc(ccc1c....
83 1XH7 Kd = 150 nM R96 C33 H39 N5 O4 CC1(CCCN(C....
84 3X2U - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
85 1XHA - R68 C33 H38 F N5 O4 CC1(CCCN[C....
86 4IAF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
87 4IAD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
88 3ZO1 ic50 = 1 uM SIJ C14 H20 N6 c1[nH]c2c(....
89 4HPT - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
90 4UJ1 - NVX C19 H16 Cl N3 O2 c1cc(cc(c1....
91 2OH0 ic50 = 18 nM 2PY C23 H21 N5 O c1cc2c(cc1....
92 4WB5 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
93 2F7X ic50 = 14 nM 4EA C23 H22 N4 O c1ccc2c(c1....
94 2UVZ - GVJ C18 H15 N5 c1ccc(cc1)....
95 3NX8 - IPH C6 H6 O c1ccc(cc1)....
96 2UW7 ic50 = 18 nM GVP C20 H20 Cl N3 c1cc(ccc1c....
97 4Z84 - NVX C19 H16 Cl N3 O2 c1cc(cc(c1....
98 1XH6 Kd = 48 nM R94 C31 H35 N5 O4 c1cc(ccc1C....
99 2VNW - M01 C11 H16 N6 c1[nH]c2c(....
100 1FMO Ki = 2.3 nM ADN C10 H13 N5 O4 c1nc(c2c(n....
101 2UZV ic50 > 3 uM SS5 C29 H34 N4 O2 Cc1c2cc(cc....
102 4UJ2 - NVV C19 H16 I N3 O2 c1cc(cc(c1....
103 4IB1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
104 2QUR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
105 4XW6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
106 1XH9 Kd = 17 nM R69 C28 H31 N5 O4 CN(C)c1ccc....
107 2GU8 ic50 = 0.1 nM 796 C19 H19 Cl2 N5 O S CNc1nccc(n....
108 2VO3 - M04 C19 H22 Cl N5 c1cc(ccc1C....
109 4WB8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
110 3ZO2 ic50 = 80 nM 15I C14 H20 N6 c1[nH]c2c(....
111 1SVH ic50 = 360 nM I08 C28 H28 F N3 O4 COc1ccc(c(....
112 1YDS Ki = 1.2 uM IQS C12 H15 N3 O2 S CNCCNS(=O)....
113 4IAY - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
114 4C36 ic50 = 19.8 nM ZO9 C13 H13 N5 O c1ccc2c(c1....
115 4UJB - 8BQ C19 H16 F N3 O2 c1cc(cc(c1....
116 4WB7 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP; Similar ligands found: 404
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP 1 1
2 AQP 0.985507 1
3 5FA 0.985507 1
4 B4P 0.927536 0.971831
5 AP5 0.927536 0.971831
6 BA3 0.913043 0.971831
7 ADP 0.9 1
8 A2D 0.884058 0.971831
9 SAP 0.84 0.945946
10 AGS 0.84 0.945946
11 AN2 0.810811 0.985915
12 25L 0.809524 0.985915
13 APR 0.802632 0.971831
14 AR6 0.802632 0.971831
15 M33 0.8 0.958333
16 TAT 0.794872 0.958904
17 ACQ 0.794872 0.972222
18 AD9 0.792208 0.972222
19 ACP 0.789474 0.972222
20 A 0.788732 0.971429
21 AMP 0.788732 0.971429
22 ANP 0.772152 0.972222
23 ADX 0.753247 0.873418
24 CA0 0.753247 0.945205
25 A22 0.746988 0.985915
26 50T 0.74359 0.958333
27 APC 0.734177 0.958904
28 PRX 0.734177 0.893333
29 ABM 0.733333 0.917808
30 ATF 0.731707 0.958904
31 ITT 0.730769 0.943662
32 7D4 0.730769 0.905405
33 ADQ 0.729412 0.945205
34 AMP MG 0.72 0.891892
35 AP2 0.714286 0.958904
36 A12 0.714286 0.958904
37 A1R 0.709302 0.907895
38 SRA 0.706667 0.918919
39 5AL 0.698795 0.931507
40 OAD 0.693182 0.945205
41 ADP MG 0.6875 0.905405
42 AU1 0.6875 0.972222
43 SRP 0.682353 0.906667
44 G5P 0.680851 0.921053
45 BEF ADP 0.679012 0.881579
46 ADP BEF 0.679012 0.881579
47 25A 0.678161 0.971831
48 3OD 0.677778 0.945205
49 4AD 0.670455 0.92
50 G3A 0.670213 0.921053
51 00A 0.662921 0.883117
52 ADV 0.662651 0.932432
53 ADP PO3 0.662651 0.943662
54 RBY 0.662651 0.932432
55 BIS 0.659341 0.933333
56 5SV 0.659091 0.848101
57 8QN 0.659091 0.931507
58 OOB 0.659091 0.931507
59 GTA 0.65625 0.886076
60 ATP MG 0.654762 0.905405
61 UP5 0.653061 0.92
62 AMO 0.651685 0.932432
63 PAJ 0.651685 0.884615
64 2A5 0.650602 0.918919
65 MAP 0.647727 0.945946
66 3AT 0.647059 0.971831
67 AHX 0.644444 0.896104
68 DLL 0.644444 0.931507
69 PAP 0.642857 0.985714
70 ATR 0.642857 0.971429
71 PTJ 0.641304 0.896104
72 7D3 0.6375 0.905405
73 3UK 0.637363 0.918919
74 SON 0.634146 0.932432
75 A4P 0.633663 0.843373
76 ALF ADP 0.632184 0.87013
77 ADP ALF 0.632184 0.87013
78 LAD 0.630435 0.860759
79 WAQ 0.630435 0.883117
80 PR8 0.630435 0.85
81 AFH 0.628866 0.884615
82 DTP 0.627907 0.905405
83 GAP 0.627907 0.893333
84 ANP MG 0.625 0.894737
85 VO4 ADP 0.625 0.931507
86 ADP VO4 0.625 0.931507
87 1ZZ 0.623656 0.839506
88 TXA 0.623656 0.932432
89 FYA 0.623656 0.905405
90 ME8 0.623656 0.839506
91 NB8 0.623656 0.896104
92 T5A 0.621359 0.841463
93 RAB 0.619718 0.84507
94 ADN 0.619718 0.84507
95 XYA 0.619718 0.84507
96 9SN 0.610526 0.871795
97 48N 0.61 0.896104
98 AP0 0.607843 0.896104
99 FA5 0.604167 0.906667
100 YAP 0.604167 0.894737
101 TXD 0.60396 0.907895
102 6V0 0.60396 0.896104
103 NXX 0.60396 0.932432
104 NAI 0.60396 0.907895
105 DND 0.60396 0.932432
106 NAX 0.60396 0.873418
107 ADP BMA 0.602151 0.918919
108 A2R 0.6 0.985915
109 OMR 0.598039 0.851852
110 TXE 0.598039 0.907895
111 XAH 0.597938 0.839506
112 DAL AMP 0.593407 0.905405
113 7DT 0.593023 0.985714
114 AOC 0.592593 0.821918
115 4UV 0.591837 0.894737
116 DDS 0.590909 0.878378
117 139 0.590476 0.873418
118 CNA 0.584906 0.932432
119 6AD 0.58427 0.909091
120 5AS 0.583333 0.77907
121 5N5 0.581081 0.819444
122 4UU 0.58 0.894737
123 4TC 0.576923 0.896104
124 ADJ 0.575472 0.851852
125 5CD 0.573333 0.805556
126 A4D 0.573333 0.819444
127 RGT 0.571429 0.958904
128 A3P 0.571429 0.971429
129 7D5 0.56962 0.878378
130 LAQ 0.568627 0.839506
131 YLP 0.563107 0.819277
132 A A 0.5625 0.944444
133 UPA 0.561905 0.907895
134 AV2 0.56044 0.917808
135 COD 0.559633 0.811765
136 4UW 0.557692 0.860759
137 JB6 0.556701 0.883117
138 3AM 0.555556 0.929577
139 ATP A A A 0.555556 0.930556
140 A2P 0.552941 0.957143
141 TYM 0.552381 0.906667
142 NA7 0.552083 0.958904
143 EP4 0.551282 0.753247
144 MYR AMP 0.55102 0.817073
145 PPS 0.549451 0.873418
146 YLB 0.54717 0.819277
147 YLC 0.54717 0.839506
148 NAD 0.545455 0.931507
149 DAT 0.545455 0.905405
150 G5A 0.544444 0.77907
151 M2T 0.544304 0.734177
152 DTA 0.544304 0.786667
153 3DH 0.54321 0.773333
154 128 0.542857 0.776471
155 AHZ 0.538462 0.817073
156 SSA 0.537634 0.8
157 GTP 0.537634 0.92
158 MTA 0.5375 0.773333
159 IOT 0.537037 0.831325
160 A3D 0.535714 0.918919
161 TYR AMP 0.534653 0.881579
162 AR6 AR6 0.533981 0.917808
163 7MD 0.533981 0.8625
164 YLA 0.53211 0.819277
165 AMP DBH 0.529412 0.893333
166 IMO 0.529412 0.929577
167 TAD 0.528846 0.884615
168 AYB 0.527273 0.809524
169 A5A 0.526882 0.807229
170 TSB 0.526316 0.819277
171 EAD 0.525424 0.873418
172 2AM 0.52439 0.943662
173 6RE 0.52381 0.759494
174 7DD 0.522727 0.985714
175 V3L 0.521739 0.971831
176 AVV 0.520833 0.896104
177 BTX 0.517857 0.841463
178 NAE 0.517241 0.894737
179 54H 0.515789 0.788235
180 VMS 0.515789 0.788235
181 52H 0.515789 0.77907
182 NSS 0.515464 0.8
183 BT5 0.513274 0.831325
184 NAQ 0.512821 0.871795
185 ZAS 0.511905 0.766234
186 A3N 0.511628 0.786667
187 J7C 0.511628 0.769231
188 5X8 0.511111 0.763158
189 53H 0.510417 0.77907
190 5CA 0.510417 0.8
191 ARU 0.510204 0.860759
192 ARG AMP 0.509434 0.829268
193 AF3 ADP 3PG 0.509259 0.8375
194 LA8 ALF 3PG 0.509259 0.8375
195 ALF ADP 3PG 0.509259 0.8375
196 ZID 0.508475 0.918919
197 P1H 0.508197 0.851852
198 OVE 0.505882 0.905405
199 S4M 0.505747 0.666667
200 LPA AMP 0.504673 0.817073
201 7MC 0.504587 0.841463
202 DZD 0.5 0.884615
203 LSS 0.5 0.761364
204 DSZ 0.5 0.8
205 P5A 0.5 0.744444
206 DSH 0.5 0.725
207 FB0 0.5 0.804598
208 MAO 0.5 0.759036
209 NDE 0.495935 0.932432
210 N0B 0.495798 0.819277
211 M24 0.495726 0.85
212 YLY 0.495726 0.809524
213 NJP 0.495575 0.945946
214 NVA LMS 0.494949 0.761364
215 MGP 0.494737 0.884615
216 6C6 0.494624 0.881579
217 NAJ PZO 0.491379 0.848101
218 0WD 0.491228 0.921053
219 LEU LMS 0.49 0.761364
220 6G0 0.489583 0.884615
221 GJV 0.488636 0.75
222 6FA 0.488189 0.841463
223 5AD 0.486842 0.746479
224 GSU 0.485149 0.77907
225 KAA 0.485149 0.752809
226 71V 0.483146 0.907895
227 NEC 0.482759 0.746667
228 A3G 0.482759 0.8
229 NAD IBO 0.482456 0.87013
230 ODP 0.482456 0.909091
231 FAS 0.48062 0.851852
232 FAD 0.48062 0.851852
233 7D7 0.480519 0.743243
234 FDA 0.480315 0.833333
235 N6P 0.48 0.915493
236 2SA 0.479167 0.932432
237 GP3 0.478723 0.921053
238 4TA 0.478261 0.807229
239 G A A A 0.478261 0.871795
240 SFG 0.478261 0.75
241 NPW 0.477876 0.886076
242 NDP 0.477876 0.921053
243 NDC 0.47619 0.871795
244 YSA 0.47619 0.77907
245 MGO 0.474227 0.860759
246 6IA 0.473684 0.8375
247 TXP 0.473684 0.921053
248 GDP 0.473684 0.92
249 NZQ 0.473684 0.909091
250 A7D 0.472527 0.776316
251 SFD 0.469231 0.734043
252 ZDA 0.468085 0.864865
253 SA8 0.468085 0.707317
254 A5D 0.468085 0.786667
255 12D 0.46789 0.785714
256 PGS 0.467391 0.883117
257 MHZ 0.467391 0.697674
258 62F 0.466165 0.8625
259 DA 0.465909 0.878378
260 D5M 0.465909 0.878378
261 GGZ 0.464646 0.825
262 SAH 0.463158 0.74359
263 SAI 0.463158 0.734177
264 NAJ PYZ 0.46281 0.85
265 FAY 0.462687 0.8625
266 Y3J 0.4625 0.726027
267 PO4 PO4 A A A A PO4 0.460784 0.902778
268 AAM 0.460674 0.971429
269 RFL 0.459259 0.821429
270 SMM 0.459184 0.686047
271 AMZ 0.458824 0.916667
272 C2R 0.458824 0.90411
273 SAM 0.458333 0.690476
274 A3S 0.456522 0.810811
275 FNK 0.455224 0.804598
276 7C5 0.453704 0.818182
277 AAT 0.453608 0.707317
278 EEM 0.453608 0.690476
279 XNP 0.452991 0.873418
280 AIR 0.451219 0.901408
281 62X 0.45098 0.666667
282 GSP 0.45 0.873418
283 ETB 0.45 0.833333
284 DCA 0.45 0.823529
285 U A G G 0.449153 0.883117
286 NIA 0.448276 0.822785
287 AMP NAD 0.447154 0.881579
288 A3T 0.446809 0.821918
289 K15 0.446602 0.682353
290 A A A 0.446602 0.905405
291 PUA 0.446281 0.884615
292 6K6 0.445545 0.930556
293 GEK 0.445545 0.7375
294 4YB 0.445455 0.761364
295 S7M 0.444444 0.690476
296 DG1 0.443548 0.921053
297 1DG 0.443548 0.921053
298 Z5A 0.443548 0.77907
299 COA 0.442623 0.823529
300 0T1 0.442623 0.823529
301 WSA 0.442478 0.788235
302 8BR 0.43956 0.906667
303 101 0.438202 0.878378
304 IDP 0.4375 0.918919
305 NAP 0.435484 0.945205
306 APU 0.434783 0.894737
307 A U 0.434783 0.87013
308 7RP 0.433333 0.928571
309 A6D 0.432692 0.722892
310 CAO 0.432 0.795455
311 AMX 0.432 0.833333
312 COS 0.432 0.804598
313 TAP 0.432 0.907895
314 J7V 0.432 0.833333
315 30N 0.432 0.752688
316 V1N 0.431193 0.917808
317 649 0.429825 0.744444
318 P5F 0.429577 0.823529
319 NA0 0.428571 0.932432
320 CMX 0.428571 0.823529
321 7RA 0.428571 0.957747
322 SCO 0.428571 0.823529
323 0UM 0.427184 0.698795
324 GAV 0.427184 0.884615
325 ACK 0.426966 0.861111
326 1RB 0.426966 0.885714
327 QQY 0.426966 0.815789
328 GCP 0.425743 0.896104
329 G1R 0.425743 0.907895
330 FAM 0.425197 0.804598
331 FCX 0.425197 0.795455
332 ACO 0.425197 0.795455
333 GNH 0.424242 0.907895
334 F2N 0.423611 0.813953
335 GDC 0.422018 0.884615
336 GDD 0.422018 0.884615
337 GKE 0.422018 0.884615
338 HAX 0.421875 0.804598
339 3AD 0.421687 0.805556
340 GNP 0.421569 0.896104
341 FA9 0.42069 0.864198
342 KB1 0.420561 0.698795
343 TM1 0.420561 0.77381
344 H6Y 0.42 0.945205
345 2MC 0.419847 0.769231
346 3KK 0.418605 0.804598
347 FYN 0.418605 0.823529
348 S8M 0.417476 0.759494
349 2VA 0.416667 0.8
350 NHD 0.416667 0.905405
351 26A 0.416667 0.763158
352 QQX 0.41573 0.805195
353 SOP 0.415385 0.804598
354 OXK 0.415385 0.804598
355 COK 0.415385 0.804598
356 MCD 0.415385 0.804598
357 CA6 0.415385 0.729167
358 YE1 0.413534 0.813953
359 FAI 0.413043 0.916667
360 AS 0.413043 0.833333
361 RMB 0.413043 0.873239
362 1VU 0.412214 0.795455
363 CO6 0.412214 0.804598
364 CMC 0.412214 0.804598
365 NMX 0.412214 0.76087
366 SXZ 0.411215 0.710843
367 ANZ 0.410714 0.8
368 SCA 0.410448 0.804598
369 PLP AAD 0.409836 0.741573
370 SCD 0.409091 0.823529
371 CAJ 0.409091 0.804598
372 NAD BBN 0.408759 0.841463
373 NVA 2AD 0.408163 0.74359
374 D3Y 0.407767 0.789474
375 CC5 0.407407 0.816901
376 U G A 0.407407 0.839506
377 KH3 0.40708 0.674419
378 SLU 0.406504 0.770115
379 G 0.40625 0.906667
380 5GP 0.40625 0.906667
381 BCO 0.406015 0.804598
382 IVC 0.406015 0.813953
383 A1S 0.406015 0.804598
384 MLC 0.406015 0.804598
385 3HC 0.406015 0.813953
386 1HE 0.406015 0.786517
387 GTG 0.405405 0.886076
388 NMN AMP PO4 0.404959 0.87013
389 3D1 0.404762 0.773333
390 3L1 0.404762 0.773333
391 CMP 0.404255 0.901408
392 2BA 0.404255 0.915493
393 SO8 0.40404 0.789474
394 VRT 0.40404 0.769231
395 MCA 0.402985 0.795455
396 CAA 0.402985 0.813953
397 COO 0.402985 0.804598
398 NAD CJ3 0.402878 0.811765
399 G2R 0.401869 0.884615
400 3NZ 0.401869 0.782051
401 ZZB 0.4 0.77381
402 MC4 0.4 0.76087
403 2FA 0.4 0.813333
404 2CP 0.4 0.795455
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4WB7; Ligand: ATP; Similar sites found: 365
This union binding pocket(no: 1) in the query (biounit: 4wb7.bio2) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1N1G BCP 0.006638 0.41439 1.0929
2 1ZK7 FAD 0.01911 0.40506 1.23457
3 1RYI FAD 0.0009867 0.4546 1.3089
4 1RYI GOA 0.01027 0.41461 1.3089
5 4U98 ACP 0.00178 0.45618 1.48148
6 1QPB TPP 0.002175 0.42307 1.48148
7 3NYQ MCA 0.009446 0.4048 1.48148
8 1QPB PYM 0.006781 0.40392 1.48148
9 2BJK NAD 0.02955 0.40193 1.48148
10 2V6O FAD 0.02291 0.41734 1.7284
11 2DTX BMA 0.01534 0.40374 1.89394
12 5EVY SAL 0.04593 0.40491 1.97531
13 1I2B NAD 0.0255 0.40571 1.9802
14 1I2B UPG 0.0255 0.40571 1.9802
15 1I2B USQ 0.0255 0.40571 1.9802
16 3O03 NAP 0.03194 0.40282 2.06186
17 2G86 UMP 0.01951 0.40706 2.21519
18 4PU5 ANP 0.0005975 0.45751 2.22222
19 2IXB NAD 0.006329 0.41048 2.22222
20 2IXB A2G 0.009936 0.41048 2.22222
21 3I0O ADP 0.0001922 0.51973 2.35988
22 1RP0 AHZ 0.008782 0.43346 2.46479
23 4G87 UD1 0.01798 0.40658 2.46914
24 1C0I BE2 0.001217 0.4549 2.47934
25 1C0I FAD 0.001217 0.4549 2.47934
26 1W2D ADP 0.001218 0.47873 2.64151
27 1W2D 4IP 0.005109 0.40326 2.64151
28 2Q1S NAI 0.007457 0.42037 2.65252
29 3TM0 ANP 0.0008167 0.42611 2.6616
30 3TM0 B31 0.000939 0.42113 2.6616
31 3RE4 TO1 0.000001875 0.4305 2.71318
32 1ZP9 ATP 0.00000262 0.41888 2.71318
33 1ZTH ADP 0.000001049 0.41492 2.71318
34 5MW8 ATP 0.000007121 0.44734 2.71605
35 2YVF NAD 0.006615 0.43501 2.71605
36 2YVF FAD 0.006606 0.43436 2.71605
37 2NU8 COA 0.002119 0.4235 2.71605
38 1LVL FAD 0.009276 0.41644 2.71605
39 1TQP ATP 0.00001131 0.52697 2.83688
40 4PQG NAG 0.00949 0.43746 2.96296
41 3UDZ ADP 0.000006232 0.42947 2.96296
42 4AXD ANP 0.009502 0.4092 2.96296
43 1Z45 NAD 0.008177 0.40481 2.96296
44 1XHL NDP 0.002946 0.4249 3.0303
45 1SOW NAD 0.009297 0.40507 3.04878
46 1IA9 ANP 0.00001625 0.54149 3.21429
47 1FL2 FAD 0.01622 0.40368 3.22581
48 1V1A ADP 0.005233 0.41111 3.23625
49 3IO3 ADP 0.003509 0.40299 3.44828
50 2CFM AMP 0.004743 0.44851 3.45679
51 3NKS ACJ 0.001047 0.41797 3.45679
52 3MAG 3MA 0.03758 0.4022 3.58306
53 2YW2 ATP 0.005751 0.4212 3.7037
54 4LH7 1X8 0.01477 0.42865 3.71517
55 2BNF UTP 0.009169 0.4119 3.73444
56 2BNE U5P 0.0117 0.40282 3.73444
57 3X01 AMP 0.001325 0.48926 3.81679
58 1VDC FAD 0.004495 0.43306 3.9039
59 3TDV GDP 0.000004359 0.57417 3.92157
60 1SS4 GSH 0.005689 0.45616 3.92157
61 2F01 BTN 0.03045 0.40801 3.93701
62 2F01 BTQ 0.04356 0.40113 3.93701
63 2NVK FAD 0.004407 0.42791 3.95062
64 2G50 PYR 0.0338 0.41059 3.95062
65 2C7G FAD 0.03101 0.40272 3.95062
66 1UJ5 5RP 0.0004807 0.42309 3.96476
67 3ZJX BOG 0.03533 0.41338 4.15225
68 1L3I SAH 0.004871 0.4095 4.16667
69 2PYW ADP 0.00001128 0.43148 4.19753
70 3FC4 EDO 0.0104 0.42166 4.19753
71 1ME8 RVP 0.02077 0.42131 4.19753
72 4OUC 5ID 0.00000003579 0.46414 4.20168
73 4R78 AMP 0.000004821 0.40008 4.20712
74 5I35 ANP 0.0000229 0.40979 4.3257
75 3F81 STT 0.00208 0.45732 4.37158
76 1I0Z OXM 0.02469 0.4046 4.5045
77 1M5B BN1 0.02315 0.40887 4.56274
78 2BTO GTP 0.00746 0.41555 4.62963
79 2BLE 5GP 0.02564 0.40824 4.63215
80 4DFU QUE 0.02509 0.4193 4.65839
81 5C4L 4XR 0.0003736 0.41808 4.6729
82 3Q9T FAY 0.01444 0.40385 4.69136
83 1TDF NAP 0.0423 0.40442 4.74684
84 2V5E SCR 0.01748 0.41941 5
85 3TA2 AKG 0.00007329 0.48359 5.08475
86 3TA2 ATP 0.001273 0.44133 5.08475
87 5MRH Q9Z 0.01447 0.42781 5.18518
88 1X1T NAD 0.02796 0.41243 5.38462
89 4O1P ANP 0.0000003513 0.45472 5.4321
90 3AVR OGA 0.04992 0.40387 5.4321
91 4CS4 AXZ 0.01466 0.40819 5.47445
92 4CS4 ANP 0.01169 0.40658 5.47445
93 5TT6 ATP 0.003422 0.42795 5.58376
94 3TPV ADE 0.01259 0.40889 5.67901
95 4MUQ LY0 0.0413 0.40006 5.88235
96 3S9K CIT 0.03125 0.41471 5.9322
97 4OCV ANP 0.0001261 0.40492 6.0686
98 3ICC NAP 0.009089 0.40547 6.27451
99 3WE0 FAD 0.003609 0.43342 6.41975
100 1SB8 NAD 0.01488 0.41124 6.81818
101 1SB8 UD2 0.01756 0.41124 6.81818
102 4F8L GAL 0.0007724 0.50076 6.89655
103 2JL1 NAP 0.005807 0.40029 6.96864
104 1WD4 AHR 0.04507 0.40161 7.16049
105 5W2I I3P 0.0002404 0.4037 7.393
106 5W2I ADP 0.0002404 0.4037 7.393
107 4IX4 ADP 0.000007394 0.43418 7.42857
108 4DQ2 BTX 0.003275 0.41908 7.62195
109 4OZJ ADP 0.002337 0.42481 7.65432
110 3QDT A2G GAL 0.002125 0.44836 7.69231
111 1V6A TRE 0.005417 0.4102 7.83133
112 4RJK PYR 0.004014 0.43541 8.14815
113 4XMF HSM 0.003169 0.48855 8.69565
114 4ZS4 ATP 0.00002214 0.42177 8.79479
115 1UO5 PIH 0.009333 0.44254 8.82353
116 3UEC ALA ARG TPO LYS 0.01189 0.40695 8.90411
117 4OCJ NDG 0.00009267 0.45499 8.97098
118 3NCQ ATP 0.0002867 0.44766 9.2437
119 3VPC ADP 0.0003734 0.4704 9.57447
120 1UXG NAD 0.01688 0.40107 9.70874
121 1UXG FUM 0.01688 0.40107 9.70874
122 4CO3 ATP 0.0114 0.41228 9.82143
123 4FE2 ADP 0.006623 0.43677 10.1961
124 1EP2 FMN 0.006473 0.40612 10.3448
125 1EP2 ORO 0.01281 0.4018 10.3448
126 1BGQ RDC 0.00229 0.4222 10.6667
127 3Q60 ATP 0.00001512 0.41127 10.7817
128 3TN7 NJP 0.01074 0.40137 10.8949
129 5CKW ANP 0.00000331 0.40798 11.1111
130 4IVG ANP 0.00622 0.4008 11.6049
131 2Q2V NAD 0.008163 0.40851 11.7647
132 4LRJ ANP 0.0000001535 0.46096 11.8343
133 4AT0 FAD 0.02243 0.40373 12.0988
134 5DMZ ADP 0.0000000009035 0.74655 13.4247
135 2RIO ADP 0.000000002149 0.50797 13.8272
136 4OH4 ANP 0.00000003766 0.48572 14.4144
137 5LPZ ADP 0.000000024 0.48839 14.759
138 4GYI ADP 0.00002343 0.55926 14.8148
139 4IJP 1EH 0.0000003754 0.47066 15.0838
140 5KO1 6UY 0.000004875 0.42077 15.1943
141 4CYI ATP 0.00001097 0.4266 15.5556
142 3VHE 42Q 0.00004125 0.48235 15.8774
143 4QTB 38Z 0.00001537 0.45905 16.0526
144 5LPB ADP 0.0000001587 0.43671 16.2162
145 5BVE 4VG 0.000002364 0.53879 16.8975
146 4YZC STU 0.000002859 0.50819 17.7778
147 3VPB ADP 0.0001083 0.4179 17.8571
148 4I94 ANP 0.00000003783 0.47328 18
149 2CSN CKI 0.00000003133 0.60777 18.1818
150 4WW7 AMP 0.00006599 0.41271 19.1571
151 4Y8D 49J 0.000002706 0.58387 19.4118
152 2PZI AXX 0.00003126 0.55301 19.7531
153 5C03 AGS 0.00001944 0.41856 21.345
154 4Y0X ADP 0.000004586 0.42645 22.1333
155 3VRY B43 0.0000938 0.48375 22.963
156 5LXT ACP 0.0008998 0.44981 23.0769
157 4JR7 GNP 0.00000000008027 0.54452 23.5294
158 4Q5H ANP 0.000001401 0.44822 23.6842
159 1Q8Y ADP 0.000000007101 0.5181 24.6649
160 1Q8Y ADE 0.0000006434 0.41123 24.6649
161 4XH0 ADP 0.00001213 0.60263 24.8139
162 1LOB MMA 0.02088 0.41939 25
163 1D6H COA 0.0135 0.40967 25
164 1DXY NAD 0.005223 0.40832 25
165 4PLG OXM 0.01635 0.40065 25
166 4PLG NAI 0.01635 0.40065 25
167 5MY8 RXZ 0.000008903 0.44875 25.3264
168 3TTI KBI 0.0000001959 0.58381 25.4321
169 1Y57 MPZ 0.000003579 0.45356 25.4321
170 2H8H H8H 0.0000005152 0.44967 25.4321
171 3HMO STU 0.000004164 0.42295 25.4386
172 4E93 GUI 0.000003274 0.5165 25.7294
173 5LXC 7AA 0.000000001527 0.49547 26.1728
174 3GNI ATP 0.0000006966 0.46319 26.2211
175 4IDT T28 0.00000001034 0.48205 26.6854
176 4H3Q ANP 0.00000003252 0.51655 27.0718
177 4H3P ANP 0.0000004395 0.46311 27.0718
178 4CRL C1I 0.0001017 0.44441 27.3399
179 5N87 N66 0.00002118 0.47522 27.476
180 3UIM ANP 0.00000007104 0.48046 27.6074
181 4Y93 746 0.00005902 0.42819 27.6543
182 5UIU 8CG 0.0000003847 0.51331 27.8638
183 4BTK DTQ 0.000002774 0.43959 27.8932
184 2WU6 DKI 0.0000003924 0.48297 28.084
185 5T8O 76Z 0.0000001819 0.62354 28.3668
186 2JLD AG1 0.000000116 0.54716 28.642
187 2PVN P63 0.000000005563 0.56751 28.6932
188 4UX9 ANP 0.0000000002177 0.7549 28.8462
189 5GZ9 ANP 0.0000001033 0.49899 28.8525
190 3PP0 03Q 0.000005199 0.53122 28.9941
191 4FL3 ANP 0.00000007775 0.49647 29.1358
192 1VJY 460 0.000000246 0.53054 29.3729
193 4P5Z Q7M 0.0006894 0.42336 29.9169
194 1OPK P16 0.0003131 0.44489 30
195 4AZW ATP 0.00007396 0.40926 30
196 5IQD GNP 0.002192 0.40393 30
197 5IQD RIO 0.002362 0.40393 30
198 2B9I ADP 0.00000001004 0.69762 30.0283
199 2B9H ADP 0.00000001994 0.49916 30.0283
200 2B9J ADP 0.000000007678 0.49688 30.0283
201 5AWM ANP 0.00000007781 0.44659 30.203
202 3E8N VRA 0.0001 0.49657 30.2053
203 3E8N ATP 0.0001 0.49657 30.2053
204 1CM8 ANP 0.00000003232 0.47732 30.2452
205 4IZY 1J2 0.000002443 0.57283 30.3523
206 4WHZ 3NL 0.00005166 0.47561 30.3896
207 5EOB 5QQ 0.0001229 0.46666 30.4075
208 5HCY 60D 0.00002229 0.48436 30.5136
209 4CLI 5P8 0.0001882 0.45006 30.581
210 2B9F ADP 0.00000001354 0.49665 30.5949
211 4D2S DYK 0.000004078 0.40384 30.6338
212 1U5R ATP 0.0000000455 0.48091 30.7471
213 4NM5 ADP 0.0000006943 0.47392 30.7692
214 4KBA 1QM 0.0004387 0.44883 30.8157
215 5W4W 9WG 0.0003525 0.41833 30.8157
216 1OUK 084 0.002263 0.44276 30.8743
217 4ASE AV9 0.0002067 0.41272 30.8782
218 3ALN ANP 0.00000004835 0.49506 30.8869
219 4YMJ 4EJ 0.000001604 0.6506 30.9211
220 4F9C 0SX 0.000000000922 0.51327 31.0249
221 4NST ADP 0.0000005586 0.45621 31.0541
222 5X8I SQZ 0.000000003113 0.50869 31.2139
223 5DBX ANP 0.0000002999 0.43311 31.4024
224 3ZRM ZRM 0.000001209 0.441 31.5364
225 3OFM 4B0 0.0000009353 0.42196 31.7143
226 5JGA 6KC 0.0000108 0.47311 31.746
227 3LXN MI1 0.000000001928 0.53212 31.761
228 3LXK MI1 0.00000005341 0.52991 31.8043
229 3KRR DQX 0.0000007996 0.55921 31.8644
230 5BYZ 4WE 0.00002703 0.45646 31.8966
231 3NW7 LGV 0.0004063 0.43988 31.9218
232 5EFQ ADP 0.0000004504 0.45998 31.9885
233 3PE2 E1B 0.000005962 0.50825 32.0475
234 5HVJ ANP 0.0000006592 0.6738 32.0635
235 3ORK AGS 0.0000001129 0.5134 32.1543
236 3IGO ANP 0.00000075 0.58933 32.3457
237 1O9U ADZ 0.004445 0.44118 32.5714
238 1K3A ACP 0.00001153 0.40309 32.7759
239 4Y85 499 0.000001483 0.43106 32.8313
240 4AT3 LTI 0.0003051 0.4173 33.1104
241 3F7Z 34O 0.00000009687 0.47205 33.1429
242 5TO8 7FM 0.0006499 0.42551 33.3333
243 3KRL KRL 0.00003162 0.41738 33.4328
244 3GC8 B45 0.000008815 0.54214 33.5135
245 3E7O 35F 0.0004275 0.41767 33.6111
246 4E1Z 0MX 0.00000004973 0.50682 33.677
247 4AG8 AXI 0.0001528 0.44435 33.8608
248 3PLS ANP 0.0000001873 0.46173 33.8926
249 4GJ3 0XP 0.000001758 0.49553 34.106
250 4EWH T77 0.000005877 0.5243 34.1818
251 4U44 3D9 0.0000002284 0.45581 34.3373
252 2HK5 1BM 0.00003656 0.41461 34.4444
253 4QMN DB8 0.00006871 0.45684 34.5161
254 4AUA 4AU 0.0000005969 0.4506 34.5277
255 5AX9 4KT 0.0000001284 0.46341 34.7403
256 4CQE CQE 0.0000312 0.41959 34.8921
257 4OAV ACP 0.0000001995 0.45443 35
258 1REO FAD 0.001013 0.45194 35
259 1H82 FAD 0.01922 0.41235 35
260 1HV9 UD1 0.01656 0.40684 35
261 3W0O ADP 0.00104 0.40015 35
262 3W0O HY0 0.00104 0.40015 35
263 3SXF BK5 0.00002661 0.46783 35.0617
264 4AU8 Z3R 0.0000001424 0.43156 35.1351
265 3DAK ANP 0.000000668 0.43383 35.1724
266 3SLS ANP 0.00000001759 0.51863 35.1974
267 4XV1 904 0.00007506 0.44833 35.274
268 5NKB 8ZT 0.0004019 0.40891 35.2941
269 5JFS 6K0 0.0004199 0.43365 35.3896
270 4M69 ANP 0.00000007457 0.49654 35.4633
271 4YZN 4K5 0.000000003259 0.543 35.5401
272 3HZT J60 0.0000005869 0.41989 35.5556
273 5DA3 58V 0.000005939 0.59692 35.8491
274 5M06 ADP 0.00001344 0.40119 35.8696
275 2BPM 529 0.000003364 0.45074 35.9223
276 3O0G 3O0 0.00000003947 0.4713 35.9589
277 1UNH IXM 0.0000001049 0.4446 35.9589
278 2XVD AS6 0.0000639 0.43697 36.0927
279 5HES 032 0.000008633 0.43154 36.1564
280 3GGF GVD 0.00000001552 0.47293 36.2126
281 4G31 0WH 0.0006665 0.41418 36.4548
282 2F57 23D 0.000007004 0.40987 36.5931
283 2A19 ANP 0.0000007858 0.64181 36.6197
284 5HX8 66P 0.0000003544 0.50145 36.755
285 3TKI S25 0.000001734 0.53603 36.8421
286 2HY0 306 0.0000006876 0.63579 36.9565
287 4CFU 2WC 0.0000001287 0.66286 36.9637
288 4EUU BX7 0.0000001795 0.50841 36.9906
289 5U6C 7YS 0.000003619 0.45032 37.1429
290 4BCM T7Z 0.000001854 0.43113 37.2093
291 4BCQ TJF 0.0000006383 0.41885 37.2093
292 2XMY CDK 0.0000009873 0.55669 37.2483
293 4JDI ANP 0.000000002412 0.53206 37.2832
294 4BCN T9N 0.00000004951 0.69286 37.3333
295 2YAB AMP 0.000000003444 0.51901 37.6731
296 5LMK 6ZK 0.000007371 0.40823 37.7104
297 4BHN BH9 0.00000001072 0.5072 37.7246
298 2PVF ACP 0.000000008523 0.4931 37.7246
299 3G5D 1N1 0.00007416 0.47602 37.7622
300 4X7Q 3YR 0.000000008582 0.7008 37.8205
301 4K33 ACP 0.00000001514 0.50098 37.8462
302 5JKG 6LF 0.000264 0.43849 37.9421
303 5TA6 79D 0.0002246 0.41478 37.9888
304 3EKK GS2 0.00007167 0.45763 38.1107
305 2Y6O 1N1 0.00009558 0.40346 38.1443
306 3DLS ADP 0.00000001395 0.47242 38.209
307 3BU5 ATP 0.0000003952 0.45901 38.2353
308 5CEO 50D 0.00001263 0.41581 38.3333
309 3GQI ACP 0.00000002287 0.48716 38.3436
310 5HQ0 LZ9 0.000000008175 0.51806 38.4106
311 2OFV 242 0.0005423 0.42456 38.6282
312 4N70 2HX 0.0000002848 0.56042 38.7195
313 5DH3 5BS 0.000001061 0.4536 39.0476
314 5VC5 96M 0.00002329 0.4479 39.1003
315 1V0O INR 0.000000007463 0.69456 39.2361
316 1U59 STU 0.00000004095 0.66904 39.3728
317 5USZ SKE 0.000002547 0.47786 39.4464
318 2WQN ADP 0.000001097 0.62567 39.6774
319 3RI1 3RH 0.000001298 0.48721 39.9361
320 4YLL 4E3 0.0000005766 0.48313 40
321 4RPM HXC 0.04709 0.40435 40
322 4BFM ANP 0.00000000109 0.54641 40.1198
323 5VCV 1N1 0.000001605 0.46694 40.1929
324 3SXS PP2 0.000007964 0.42804 40.2985
325 3KN5 ANP 0.0000003177 0.44071 40.3077
326 3C0G 3AM 0.0000002062 0.4369 40.7407
327 3CY2 MB9 0.00000001108 0.52607 40.7643
328 5UR1 YY9 0.001422 0.41647 40.836
329 4TWP AXI 0.00007686 0.46566 40.9594
330 3FHR P4O 0.0000002394 0.62549 41.0714
331 2X2M X2M 0.0000006542 0.46627 41.0828
332 5FBN 5WF 0.00008397 0.45044 41.3284
333 3FC2 IBI 0.002454 0.42539 41.4925
334 4WNK 453 0.00000001741 0.5594 42.2222
335 2V7O DRN 0.00000004133 0.44085 42.5595
336 3SRV S19 0.000000005765 0.49599 42.5993
337 1BYG STU 0.0000000372 0.46659 43.1655
338 4F4P 0SB 0.00004353 0.48784 43.2234
339 2X4Z X4Z 0.00009188 0.44919 43.5811
340 5IH9 6BF 0.000005656 0.49585 43.5821
341 3M2W L8I 0.000000002082 0.48832 43.8127
342 4L9I 8PR 0.0000002735 0.45457 44.1975
343 1ZY5 ANP 0.000004484 0.42333 44.8845
344 1UDB UFG 0.01133 0.41858 45
345 1UDB NAD 0.01133 0.41858 45
346 2VZ6 FEF 0.00000004197 0.69644 45.0479
347 5DEY 59T 0.0003029 0.45077 45.1178
348 4A4X JUP 0.00004594 0.43499 45.5197
349 4KS7 X4Z 0.00001053 0.53342 45.5479
350 5A6N U7E 0.000000192 0.47024 45.583
351 4WNP 3RJ 0.00000001071 0.4708 45.6446
352 4USF 6UI 0.0001117 0.41354 46.0526
353 3PVW QRX 0.000001887 0.54926 46.1728
354 5UKL SIX 0.000000252 0.51216 46.1728
355 4FG8 ATP 0.000000007902 0.51836 46.3492
356 3V8S 0HD 0.000000002049 0.50338 46.4198
357 5UOX 8GY 0.00000003091 0.5035 46.4945
358 4DC2 ADE 0.0000000001337 0.44167 46.9697
359 2YAK OSV 0.00000118 0.4991 47.0175
360 2VN9 GVD 0.00000006943 0.42576 47.1761
361 2ZV2 609 0.000000005586 0.75162 47.3154
362 5DRB 5FJ 0.00003187 0.4811 48.4536
363 2XK9 XK9 0.004859 0.41869 48.7578
364 1PHK ATP 0.0000000003773 0.5443 48.9933
365 4C2V YJA 0.00002032 0.45492 49.4737
Pocket No.: 2; Query (leader) PDB : 4WB7; Ligand: ATP; Similar sites found: 115
This union binding pocket(no: 2) in the query (biounit: 4wb7.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2FR6 URI 0.003533 0.40288 1.36986
2 4R33 SAH 0.006593 0.41338 1.48148
3 4R33 TRP 0.006593 0.41338 1.48148
4 3CKJ CIT 0.005592 0.40717 1.51976
5 4K5S PM0 0.003549 0.43822 1.7284
6 4K5S FAD 0.001468 0.43822 1.7284
7 1R37 NAD 0.005165 0.41763 1.72911
8 3ZV6 NAD 0.006482 0.42102 1.77936
9 3ZV6 4HB 0.006834 0.42102 1.77936
10 2BGM NAJ 0.02866 0.40486 1.79856
11 1RHC F42 ACN 0.004866 0.41369 1.81818
12 1JA9 NDP 0.0215 0.41637 1.82482
13 2D2I NAP 0.00141 0.42709 1.84211
14 1P4C FMN 0.01703 0.41966 1.84211
15 4JK3 NAD 0.0005359 0.44982 1.9305
16 1IYE PGU 0.01157 0.40009 1.94175
17 1H6C NDP 0.003123 0.42984 1.97531
18 1H6C SIN 0.005379 0.42237 1.97531
19 1YBH FAD 0.005836 0.42092 1.97531
20 2AQJ TRP 0.02916 0.40518 1.97531
21 2AQJ FAD 0.0381 0.40075 1.97531
22 2GSD NAD 0.003985 0.42331 1.99005
23 3B20 NAD 0.001983 0.42305 2.0649
24 1RYD NDP 0.002122 0.43664 2.06718
25 3ZPG 5GP 0.01118 0.42156 2.09424
26 4HA6 FAD 0.002034 0.44372 2.22222
27 1B9I PXG 0.003817 0.40889 2.31959
28 3LZW NAP 0.002781 0.44908 2.40964
29 3LZW FAD 0.001183 0.44807 2.40964
30 1Q0H NDP 0.01576 0.41019 2.46914
31 1Q0H FOM 0.01692 0.40729 2.46914
32 1E5F PLP 0.001499 0.41228 2.47525
33 1T26 NAI 0.008225 0.44521 2.48447
34 1T26 GBD 0.008225 0.44521 2.48447
35 1I52 CTP 0.003968 0.41718 2.54237
36 3ZEI AWH 0.009857 0.40032 2.58065
37 1DSS NAD 0.0007008 0.44044 2.7027
38 3BAZ NAP 0.007131 0.40162 2.7027
39 2XDQ MGX 0.009072 0.426 2.71605
40 4BJZ P3A 0.02892 0.41177 2.71605
41 4BJZ FAD 0.02892 0.41177 2.71605
42 1BZL FAD 0.01271 0.41076 2.71605
43 1OMZ UD2 0.001333 0.4513 2.73038
44 5A2J ALA PRO ASP THR ARG PRO 0.02137 0.40439 2.86885
45 4W6Z 8ID 0.007477 0.41341 3.17003
46 2RGH FAD 0.001468 0.44646 3.20988
47 1ECC PCP 0.00355 0.41009 3.20988
48 1GV0 NAD 0.001471 0.43411 3.22581
49 1DLJ NAI 0.003622 0.43869 3.23383
50 1DLJ UGA 0.00625 0.42871 3.23383
51 4MUS LY0 0.0353 0.40361 3.31754
52 1ULE GLA GAL NAG 0.01476 0.40884 3.33333
53 3RO7 TDR 0.007229 0.40425 3.39623
54 2ZB3 NDP 0.002796 0.42177 3.39943
55 1I36 NAP 0.004643 0.40397 3.40909
56 3NKS FAD 0.01403 0.40336 3.45679
57 4MP8 MLI 0.001235 0.44615 3.53982
58 4MP8 NAD 0.001235 0.44615 3.53982
59 2HW1 ANP 0.002979 0.40947 3.69128
60 4FWE FAD 0.0007226 0.46228 3.7037
61 1YB5 NAP 0.002232 0.43222 3.7037
62 2QA1 FAD 0.002624 0.4306 3.7037
63 1H9A NAP 0.009924 0.40625 3.7037
64 2C7G ODP 0.003841 0.44082 3.95062
65 3WO0 ALA 0.007401 0.41359 3.95062
66 3WO0 ADP 0.007401 0.41359 3.95062
67 1KYQ NAD 0.004044 0.4007 4.0146
68 1GSA ADP 0.004234 0.43415 4.43038
69 2C5S AMP 0.00496 0.40128 4.69136
70 1TDF FAD 0.001887 0.44792 4.74684
71 2HMT NAI 0.02521 0.40158 4.86111
72 3IAE D7K 0.01142 0.40032 4.93827
73 3LM9 FRU 0.002019 0.42112 4.96689
74 1WNG SAH 0.004397 0.40127 5.28302
75 4NTD FAD 0.0006586 0.45839 5.29412
76 1MDZ DCS 0.008704 0.40739 5.34351
77 1MDZ PLP 0.008426 0.40677 5.34351
78 2VBQ BSJ 0.003514 0.42433 5.45455
79 2PUL ACP 0.002793 0.40242 5.54156
80 1RM4 NDP 0.004992 0.4389 5.63798
81 1JIL 485 0.003783 0.40371 5.67901
82 1C3V NDP 0.004827 0.41513 5.71429
83 3OND ADN 0.004019 0.4351 5.92593
84 3OND NAD 0.004019 0.4351 5.92593
85 1G8S MET 0.001433 0.44106 6.08696
86 2E1A MSE 0.001506 0.42148 6.66667
87 1YOA FMN 0.006648 0.45049 6.91824
88 3B1F NAD 0.0009889 0.42938 7.24138
89 1NJR XYL 0.007758 0.40305 7.39437
90 1T0S BML 0.02198 0.40067 8.13953
91 4USQ FAD 0.001825 0.43571 8.58726
92 2VAR ANP 0.004218 0.40379 8.94569
93 1WVG APR 0.003552 0.4133 9.1922
94 1HFS L04 0.008749 0.40612 9.375
95 3BRN SRO 0.03908 0.40916 9.55414
96 4PVV HO4 0.008447 0.41335 9.5679
97 3PDT ADP 0.00003337 0.40153 9.81818
98 4IMG NGF 0.002307 0.41173 9.89761
99 3T31 FAD 0.009706 0.42367 15
100 3T31 DCQ 0.01048 0.42367 15
101 1GR0 NAD 0.04973 0.40228 15
102 9LDB NAD 0.0004401 0.4562 20
103 9LDT NAD 0.0004593 0.45547 20
104 3KP6 SAL 0.01794 0.41756 20.5298
105 1J5P NAD 0.001771 0.42804 20.9486
106 3HAZ NAD 0.006874 0.40778 30
107 4CJN QNZ 0.04308 0.40692 30
108 1DRV A3D 0.02619 0.40088 30
109 1H82 GZZ 0.006927 0.43347 35
110 4TSK NDP 0.01403 0.41824 35
111 4E13 NAD 0.002964 0.40955 35
112 4UAL 3FV 0.0001723 0.44907 44.9383
113 2C31 TZD 0.02714 0.41354 45
114 2C31 ADP 0.0264 0.41354 45
115 2F2U M77 0.0005218 0.43345 47.2637
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